2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid

C12H12N2O3 — CID 105490518

IUPAC2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1C(=O)NCC12CC2
InChIInChI=1S/C12H12N2O3/c15-10(16)8-3-1-2-4-9(8)14-11(17)13-7-12(14)5-6-12/h1-4H,5-7H2,(H,13,17)(H,15,16)
InChIKeyFPKUYAINBRJTPV-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds2

About 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid

2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid (PubChem CID 105490518) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid
PubChem CID105490518
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1C(=O)NCC12CC2
InChIInChI=1S/C12H12N2O3/c15-10(16)8-3-1-2-4-9(8)14-11(17)13-7-12(14)5-6-12/h1-4H,5-7H2,(H,13,17)(H,15,16)
InChIKeyFPKUYAINBRJTPV-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid?
The IUPAC name of 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid (CID 105490518) is 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid.
What is the SMILES notation for 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid?
The canonical SMILES for 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid is O=C(O)c1ccccc1N1C(=O)NCC12CC2.
What is the InChIKey of 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid?
The InChIKey is FPKUYAINBRJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-10(16)8-3-1-2-4-9(8)14-11(17)13-7-12(14)5-6-12/h1-4H,5-7H2,(H,13,17)(H,15,16).
What are the key properties of 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid?
2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid is sourced from PubChem (CID 105490518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).